Monomers
Acenaphthylene
Identifiers
IUPAC name
acenaphthylene
InchI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InchI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
SMILES
c1cc2cccc3c2c(c1)C=C3
Canonical SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H8
Heavy Atom Count
12
Molecular Weight
152.196
Exact Molecular Weight
152.0626
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
3.3236
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
2.5646 -0.4197 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6581 -1.4580 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3130 -1.1146 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6875 -2.0746 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0050 -1.6494 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3554 -0.2957 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3487 0.6504 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0574 0.2116 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8366 1.2631 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1747 0.9229 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0328 2.4777 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2613 2.1160 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6124 -0.6633 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9590 -2.4941 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4473 -3.1043 0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 -2.3934 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3732 0.0579 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8799 1.7276 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4114 3.4653 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1167 2.7749 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 0
10 1 1 0
8 3 1 0
12 7 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
10 18 1 0
11 19 1 0
12 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers